2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole

C49H31N5S — CID 118300843

IUPAC2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-n3c4ccc(-c5ccccn5)cc4c4cc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5cc43)s2)cc1
InChIInChI=1S/C49H31N5S/c1-4-14-32(15-5-1)47-49(55-48(52-47)33-16-6-2-7-17-33)54-44-25-23-35(42-21-11-13-27-51-42)29-38(44)40-30-39-37-28-34(41-20-10-12-26-50-41)22-24-43(37)53(45(39)31-46(40)54)36-18-8-3-9-19-36/h1-31H
InChIKeyWHQQEYLODMULPP-UHFFFAOYSA-N
MW721.89 g/mol
LogP12.80
Rot. Bonds6

About 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole

2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole (PubChem CID 118300843) has the molecular formula C49H31N5S and a molecular weight of 721.89 g/mol. Its IUPAC name is 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
PubChem CID118300843
Molecular FormulaC49H31N5S
Molecular Weight721.89 g/mol
Exact Mass721.23
IUPAC Name2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2nc(-c3ccccc3)c(-n3c4ccc(-c5ccccn5)cc4c4cc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5cc43)s2)cc1
InChIInChI=1S/C49H31N5S/c1-4-14-32(15-5-1)47-49(55-48(52-47)33-16-6-2-7-17-33)54-44-25-23-35(42-21-11-13-27-51-42)29-38(44)40-30-39-37-28-34(41-20-10-12-26-50-41)22-24-43(37)53(45(39)31-46(40)54)36-18-8-3-9-19-36/h1-31H
InChIKeyWHQQEYLODMULPP-UHFFFAOYSA-N
XLogP12.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 118300823
2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285040
6-(4-phenylphenyl)-2-[6-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285293
16-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17,20-decaene
CID 153020194
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
2-[3,6-dipyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328762
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole?
The IUPAC name of 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole (CID 118300843) is 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole is c1ccc(-c2nc(-c3ccccc3)c(-n3c4ccc(-c5ccccn5)cc4c4cc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5cc43)s2)cc1.
What is the InChIKey of 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole?
The InChIKey is WHQQEYLODMULPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5S/c1-4-14-32(15-5-1)47-49(55-48(52-47)33-16-6-2-7-17-33)54-44-25-23-35(42-21-11-13-27-51-42)29-38(44)40-30-39-37-28-34(41-20-10-12-26-50-41)22-24-43(37)53(45(39)31-46(40)54)36-18-8-3-9-19-36/h1-31H.
What are the key properties of 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole?
2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole has a molecular weight of 721.89 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-(7-phenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 118300843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).